Information card for entry 4330608

Structure parameters

• Chemical name: bis(dimethylformamide)bis{2,7,12-trimethoxy -3,8,13-tris(3-N-oxide-pyridyloxy)-10,15-dihydro -5H-tribenzo[a,d,g]cyclononatriene}copper(II) perchlorate dimethylformamide clathrate
• Formula: C114 H136 Cl2 Cu N16 O42
• Calculated formula: C114 H136 Cl2 Cu N16 O42
• Title of publication: Coordination Polymers Utilizing N-Oxide Functionalized Host Ligands
• Authors of publication: James J. Henkelis; Sarah A. Barnett; Lindsay P. Harding; Michaele J. Hardie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10657 - 10674
• a: 16.2126 ± 0.0014 Å
• b: 19.3231 ± 0.0017 Å
• c: 19.824 ± 0.0017 Å
• α: 90°
• β: 100.091 ± 0.002°
• γ: 90°
• Cell volume: 6114.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No